Name: Name:5-chloro-1-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01C0AU
Rating: 90 (10 reviews)

5-chloro-1-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:

2090400-40-9

Catalog Number:

AG01C0AU

Molecular Formula:

C6H4ClF3N2O2

Molecular Weight:

228.5564

Catalog Number:

AG01C0AU

Chemical Name:

5-chloro-1-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

CAS Number:

2090400-40-9

Molecular Formula:

C6H4ClF3N2O2

Molecular Weight:

228.5564

MDL Number:

MFCD31421136

IUPAC Name:

5-chloro-1-methyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C6H4ClF3N2O2/c1-12-4(7)2(6(8,9)10)3(11-12)5(13)14/h1H3,(H,13,14)

InChI Key:

TXMMNVPVBDIUIH-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c(c1C(F)(F)F)Cl)C

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.555g/mol

Monoisotopic Mass:

227.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9